3-[3-(3,4-dimethoxyphenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-oxo-prop-1-enyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-oxoprop-1-enyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-oxoprop-1-enyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-4-(3-hydroxy-3-keto-prop-1-enyl)pyrazol-1-yl]propionic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC(=O)O)OC

InChI

InChI=1S/C17H18N2O6/c1-24-13-5-3-11(9-14(13)25-2)17-12(4-6-15(20)21)10-19(18-17)8-7-16(22)23/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,22,23)